9-(5,5-dimethyl-7-phenanthren-9-yldibenzothiophen-3-yl)-3,6-di(phenanthren-9-yl)carbazole

C68H45NS — CID 144938397

IUPAC9-(5,5-dimethyl-7-phenanthren-9-yldibenzothiophen-3-yl)-3,6-di(phenanthren-9-yl)carbazole
SMILESCS1(C)c2cc(-c3cc4ccccc4c4ccccc34)ccc2-c2ccc(-n3c4ccc(-c5cc6ccccc6c6ccccc56)cc4c4cc(-c5cc6ccccc6c6ccccc56)ccc43)cc21
InChIInChI=1S/C68H45NS/c1-70(2)67-40-47(62-37-44-17-5-8-20-51(44)54-23-11-14-26-57(54)62)27-31-58(67)59-32-30-48(41-68(59)70)69-65-33-28-45(60-35-42-15-3-6-18-49(42)52-21-9-12-24-55(52)60)38-63(65)64-39-46(29-34-66(64)69)61-36-43-16-4-7-19-50(43)53-22-10-13-25-56(53)61/h3-41H,1-2H3
InChIKeyRVFOTLBIMHIBHZ-UHFFFAOYSA-N
MW908.18 g/mol
LogP19.17
Rot. Bonds4

About 9-(5,5-dimethyl-7-phenanthren-9-yldibenzothiophen-3-yl)-3,6-di(phenanthren-9-yl)carbazole

9-(5,5-dimethyl-7-phenanthren-9-yldibenzothiophen-3-yl)-3,6-di(phenanthren-9-yl)carbazole (PubChem CID 144938397) has the molecular formula C68H45NS and a molecular weight of 908.18 g/mol. Its IUPAC name is 9-(5,5-dimethyl-7-phenanthren-9-yldibenzothiophen-3-yl)-3,6-di(phenanthren-9-yl)carbazole.

Molecular Properties

Compound Name9-(5,5-dimethyl-7-phenanthren-9-yldibenzothiophen-3-yl)-3,6-di(phenanthren-9-yl)carbazole
PubChem CID144938397
Molecular FormulaC68H45NS
Molecular Weight908.18 g/mol
Exact Mass907.33
IUPAC Name9-(5,5-dimethyl-7-phenanthren-9-yldibenzothiophen-3-yl)-3,6-di(phenanthren-9-yl)carbazole
SMILESCS1(C)c2cc(-c3cc4ccccc4c4ccccc34)ccc2-c2ccc(-n3c4ccc(-c5cc6ccccc6c6ccccc56)cc4c4cc(-c5cc6ccccc6c6ccccc56)ccc43)cc21
InChIInChI=1S/C68H45NS/c1-70(2)67-40-47(62-37-44-17-5-8-20-51(44)54-23-11-14-26-57(54)62)27-31-58(67)59-32-30-48(41-68(59)70)69-65-33-28-45(60-35-42-15-3-6-18-49(42)52-21-9-12-24-55(52)60)38-63(65)64-39-46(29-34-66(64)69)61-36-43-16-4-7-19-50(43)53-22-10-13-25-56(53)61/h3-41H,1-2H3
InChIKeyRVFOTLBIMHIBHZ-UHFFFAOYSA-N
XLogP19.17
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.18
LogP ≤ 519.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-(5,5-dimethyl-7-phenyldibenzothiophen-3-yl)-3,5-bis(4-phenanthren-9-ylphenyl)indole
CID 126620713
3,6-di(phenanthren-9-yl)-9-(7-phenanthren-9-yl-9H-fluoren-2-yl)carbazole
CID 118475131
3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 118971958
3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole
CID 118972103
9-(7-phenanthren-9-yl-9H-fluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole
CID 118475080
9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole
CID 118475067
ethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole
CID 144989994
3,6-di(phenanthren-9-yl)-9-[7-(4-phenylphenyl)-9H-fluoren-2-yl]carbazole
CID 118475163
3,6-dinaphthalen-1-yl-9-(5,5,7-triphenyldibenzothiophen-3-yl)carbazole
CID 144938389
9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)carbazole
CID 118531280
3-(4-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159711358
9-(18-phenanthren-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole
CID 59147268

Frequently Asked Questions

What is the IUPAC name of 9-(5,5-dimethyl-7-phenanthren-9-yldibenzothiophen-3-yl)-3,6-di(phenanthren-9-yl)carbazole?
The IUPAC name of 9-(5,5-dimethyl-7-phenanthren-9-yldibenzothiophen-3-yl)-3,6-di(phenanthren-9-yl)carbazole (CID 144938397) is 9-(5,5-dimethyl-7-phenanthren-9-yldibenzothiophen-3-yl)-3,6-di(phenanthren-9-yl)carbazole.
What is the SMILES notation for 9-(5,5-dimethyl-7-phenanthren-9-yldibenzothiophen-3-yl)-3,6-di(phenanthren-9-yl)carbazole?
The canonical SMILES for 9-(5,5-dimethyl-7-phenanthren-9-yldibenzothiophen-3-yl)-3,6-di(phenanthren-9-yl)carbazole is CS1(C)c2cc(-c3cc4ccccc4c4ccccc34)ccc2-c2ccc(-n3c4ccc(-c5cc6ccccc6c6ccccc56)cc4c4cc(-c5cc6ccccc6c6ccccc56)ccc43)cc21.
What is the InChIKey of 9-(5,5-dimethyl-7-phenanthren-9-yldibenzothiophen-3-yl)-3,6-di(phenanthren-9-yl)carbazole?
The InChIKey is RVFOTLBIMHIBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45NS/c1-70(2)67-40-47(62-37-44-17-5-8-20-51(44)54-23-11-14-26-57(54)62)27-31-58(67)59-32-30-48(41-68(59)70)69-65-33-28-45(60-35-42-15-3-6-18-49(42)52-21-9-12-24-55(52)60)38-63(65)64-39-46(29-34-66(64)69)61-36-43-16-4-7-19-50(43)53-22-10-13-25-56(53)61/h3-41H,1-2H3.
What are the key properties of 9-(5,5-dimethyl-7-phenanthren-9-yldibenzothiophen-3-yl)-3,6-di(phenanthren-9-yl)carbazole?
9-(5,5-dimethyl-7-phenanthren-9-yldibenzothiophen-3-yl)-3,6-di(phenanthren-9-yl)carbazole has a molecular weight of 908.18 g/mol, XLogP of 19.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5,5-dimethyl-7-phenanthren-9-yldibenzothiophen-3-yl)-3,6-di(phenanthren-9-yl)carbazole is sourced from PubChem (CID 144938397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).